1-methyl-3-(oxolan-3-yl)thiourea

C6H12N2OS — CID 115760835

IUPAC1-methyl-3-(oxolan-3-yl)thiourea
SMILESCNC(=S)NC1CCOC1
InChIInChI=1S/C6H12N2OS/c1-7-6(10)8-5-2-3-9-4-5/h5H,2-4H2,1H3,(H2,7,8,10)
InChIKeyCHADYHYKPXIQOO-UHFFFAOYSA-N
MW160.24 g/mol
LogP-0.13
Rot. Bonds1

About 1-methyl-3-(oxolan-3-yl)thiourea

1-methyl-3-(oxolan-3-yl)thiourea (PubChem CID 115760835) has the molecular formula C6H12N2OS and a molecular weight of 160.24 g/mol. Its IUPAC name is 1-methyl-3-(oxolan-3-yl)thiourea.

Molecular Properties

Compound Name1-methyl-3-(oxolan-3-yl)thiourea
PubChem CID115760835
Molecular FormulaC6H12N2OS
Molecular Weight160.24 g/mol
Exact Mass160.07
IUPAC Name1-methyl-3-(oxolan-3-yl)thiourea
SMILESCNC(=S)NC1CCOC1
InChIInChI=1S/C6H12N2OS/c1-7-6(10)8-5-2-3-9-4-5/h5H,2-4H2,1H3,(H2,7,8,10)
InChIKeyCHADYHYKPXIQOO-UHFFFAOYSA-N
XLogP-0.13
TPSA33.29 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.24
LogP ≤ 5-0.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Related Compounds

N-[(3R)-oxolan-3-yl]hydroxylamine
CID 124574155
2,2-dimethyl-N-(oxolan-3-yl)propanamide
CID 58469645
1,1-dimethyl-3-(oxolan-3-yl)urea
CID 110868817
N-methyl-2-(oxolan-3-ylcarbamoylamino)propanamide
CID 115758780
N-(oxolan-3-yl)cyclohexanecarboxamide
CID 110868779
1-tert-butyl-3-(oxolan-3-yl)urea
CID 115755738
2-oxo-N-[(3S)-oxolan-3-yl]acetamide
CID 139551845
1-cyclopentyl-3-(oxolan-3-yl)urea
CID 115758222
3-methyl-N-[(3R)-oxolan-3-yl]butanamide
CID 176873242
1-cyclopropyl-1-methyl-3-(oxolan-3-yl)urea
CID 115760744
2-hydrazinyl-2-oxo-N-(oxolan-3-yl)acetamide
CID 80713431
methyl (Z)-2-(oxolan-3-ylamino)but-2-enoate
CID 170343563

Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-(oxolan-3-yl)thiourea?
The IUPAC name of 1-methyl-3-(oxolan-3-yl)thiourea (CID 115760835) is 1-methyl-3-(oxolan-3-yl)thiourea.
What is the SMILES notation for 1-methyl-3-(oxolan-3-yl)thiourea?
The canonical SMILES for 1-methyl-3-(oxolan-3-yl)thiourea is CNC(=S)NC1CCOC1.
What is the InChIKey of 1-methyl-3-(oxolan-3-yl)thiourea?
The InChIKey is CHADYHYKPXIQOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12N2OS/c1-7-6(10)8-5-2-3-9-4-5/h5H,2-4H2,1H3,(H2,7,8,10).
What are the key properties of 1-methyl-3-(oxolan-3-yl)thiourea?
1-methyl-3-(oxolan-3-yl)thiourea has a molecular weight of 160.24 g/mol, XLogP of -0.13, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-(oxolan-3-yl)thiourea is sourced from PubChem (CID 115760835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).